>compound alpha-Tocotrienol_alpha-Tocotrienol
#instrument UPLC Q-Tof Premier, Waters
>formula C29H44O2
#smiles O([C@](CCC=[C@](C)CCC=[C@](C)CCC=C(C)C)1C)c(c(C)2)c(c(C)c(O)c2C)CC1
#RECORD LC-ESI-QTOF_train_data/PR100477.txt
>charge 1
>ionization [M+H]+
>parentmass 425.34191

>collision 5-60
90.5096 5.595
90.529 3.6
99.5146 25.55
100.0169 2.477
100.5126 7.63
111.023 9.703
112.0194 4.094
133.068 2.315
161.0636 5.596
425.1541 14.15

